<div dir="ltr"><div>Respected Sir, <br></div><div>This is Vineet Kumar Sharma, a research scholar from IIT Hyderabad. I am a beginner to this code. I followed the steps to modify the run.py program given for Bi. <br></div><div>While executing this program, I am getting this error.</div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small"><br><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">+-----------------------------</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">------------------------------</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">-----------+<br>|=================== |<br>|SURFACE CALCULATION |<br>|=================== |<br>|starting at 2021-06-22 12:46:31,818 |<br>|running Z2Pack version 2.2.0 |<br>| |<br>|gap_tol: 0.3 |<br>|init_result: None |<br>|iterator: range(8, 27, 2) |<br>|load: True |<br>|load_quiet: True |<br>|min_neighbour_dist: 0.01 |<br>|move_tol: 0.3 |<br>|num_lines: 11 |<br>|pos_tol: 0.01 |<br>|save_file: ./results/res_0.p |<br>|serializer: auto |<br>|surface: <function <lambda> at 0x153c71281268> |<br>|system: <z2pack.fp._first_prin<...></span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">ject at 0x153c7b232b00>|<br>+-----------------------------</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">------------------------------</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">-----------+<br><br>INFO: Adding lines required by 'num_lines'.<br>INFO: Adding line at t = 0.0<br>INFO: Calculating line for N = 8<br>/bin/sh: 1: Syntax error: Bad fd number<br>Traceback (most recent call last):<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/fp/_read_mmn.py", line 16, in get_m<br> with open(mmn_file, "r") as f:<br>FileNotFoundError: [Errno 2] No such file or directory: '/home/kanchana/Soft/Z2Pack-</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">dev-current/examples/fp/vasp/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">Bi/build/wannier90.mmn'<br><br>The above exception was the direct cause of the following exception:<br><br>Traceback (most recent call last):<br> File "run.py", line 37, in <module><br> load=True<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">decorator.py", line 232, in fun<br> return caller(func, *(extras + args), **kw)<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/_run_utils.py", line 21, in inner<br> result = fct(**kwargs)<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/surface/_run.py", line 131, in run_surface<br> serializer=serializer<br> File "/usr/lib/python3.6/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">contextlib.py", line 52, in inner<br> return func(*args, **kwds)<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/surface/_run.py", line 269, in _run_surface_impl<br> result = add_line(t)<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/surface/_run.py", line 207, in add_line<br> data.add_line(t, get_line(t))<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/surface/_run.py", line 171, in get_line<br> init_result=init_line_result<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/line/_run.py", line 193, in _run_line_impl<br> for k in np.linspace(0., 1., run_options['num_steps'])<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/fp/_first_principles.</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">py", line 145, in get_mmn<br> overlap_matrices = mmn.get_m(self._mmn_path)<br> File "/home/kanchana/.local/lib/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">python3.6/site-packages/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">z2pack/fp/_read_mmn.py", line 58, in get_m<br> raise type(err)((msg)) from err<br>FileNotFoundError: [Errno 2] No such file or directory: '/home/kanchana/Soft/Z2Pack-</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">dev-current/examples/fp/vasp/</span></span><span style="font-family:arial,sans-serif"><span style="color:rgb(255,0,0)">Bi/build/wannier90.mmn'.
Check that the path of the .mmn file is correct (mmn_path input
variable). If that is the case, an error occurred during the call to the
first-principles code and Wannier90. Check the corresponding log/error
files.</span></span></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small"><br></div><div class="gmail_default" style="font-size:small"><span style="font-family:arial,sans-serif">Please help me out to fix this error. <br></span></div><div class="gmail_default" style="font-size:small"><span style="font-family:arial,sans-serif"><br></span></div><div class="gmail_default" style="font-size:small"><span style="font-family:arial,sans-serif">Thanks & Regards,</span></div><div class="gmail_default" style="font-size:small"><span style="font-family:arial,sans-serif">Vineet Kumar Sharma</span></div><div class="gmail_default" style="font-size:small"><span style="font-family:arial,sans-serif">Research Scholar</span></div><div class="gmail_default" style="font-size:small"><span style="font-family:arial,sans-serif">IIT Hyderabad</span></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small"><span style="font-family:arial,sans-serif">M No. - 9133708132</span><br></div><div>
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